N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester - CAS 885693-20-9

Name: N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB039009
Product Name:	N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester
CAS:	885693-20-9
Synonyms:	5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester; tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

Technical Data

IUPAC Name:	tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
Description:	N-Boc-1,2,5,6-tetrahydropyridine-3-boronic Acid Pinacol Ester (CAS# 885693-20-9) is a useful research chemical.
Molecular Weight:	309.21
Molecular Formula:	C16H28NO4B
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C2=CCCN(C2)C(=O)OC(C)(C)C
InChI:	InChI=1S/C16H28BNO4/c1-14(2,3)20-13(19)18-10-8-9-12(11-18)17-21-15(4,5)16(6,7)22-17/h9H,8,10-11H2,1-7H3
InChI Key:	KEEIJBAOTMNSEN-UHFFFAOYSA-N
Boiling Point:	348.007 °C at 760 mmHg
Flash Point:	Not applicable
Purity:	95 %
Density:	1.05 g/cm³
Appearance:	Solid
MDL:	MFCD10697911
LogP:	3.12290

GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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Complexity:	463
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	309.2111385
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	309.2111385
Rotatable Bond Count:	3
Topological Polar Surface Area:	48 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0